USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 CYS SG : rot 180:sc=-0.00356 USER MOD Set 1.3: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.00501 K(o=0.78,f=-4.2!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -109:sc= 0.777 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00659 K(o=-0.0066,f=-2.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= 0.733 (180deg=0.405) USER MOD Single : A 41 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.957 K(o=0.96,f=-0.21) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : +bothHN:sc= 1.17 K(o=1.2,f=-7.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00502 USER MOD Single : A 63 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.1) USER MOD Single : A 65 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.36) USER MOD Single : A 67 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= 1.03 K(o=1,f=-2) USER MOD Single : A 72 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 73 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 98:sc= 1.28 USER MOD Single : A 81 MET CE :methyl 171:sc= 0 (180deg=-0.0244) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 107 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.099) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.692 11.506 -5.018 1.00 0.00 N ATOM 244 CA LEU A 16 0.357 11.145 -4.090 1.00 0.00 C ATOM 245 C LEU A 16 0.644 9.653 -4.306 1.00 0.00 C ATOM 246 O LEU A 16 1.806 9.263 -4.417 1.00 0.00 O ATOM 247 CB LEU A 16 -0.127 11.542 -2.684 1.00 0.00 C ATOM 248 CG LEU A 16 0.860 11.290 -1.535 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.129 9.815 -1.251 1.00 0.00 C ATOM 250 CD2 LEU A 16 2.149 12.078 -1.809 1.00 0.00 C ATOM 0 HA LEU A 16 1.306 11.662 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.378 12.603 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.047 10.998 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 16 0.397 11.649 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.836 9.726 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.196 9.320 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.548 9.344 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.859 11.907 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.586 11.745 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.919 13.142 -1.872 1.00 0.00 H new ATOM 262 N ALA A 17 -0.402 8.824 -4.457 1.00 0.00 N ATOM 263 CA ALA A 17 -0.270 7.400 -4.752 1.00 0.00 C ATOM 264 C ALA A 17 0.577 7.156 -5.987 1.00 0.00 C ATOM 265 O ALA A 17 1.236 6.132 -6.028 1.00 0.00 O ATOM 266 CB ALA A 17 -1.610 6.699 -5.001 1.00 0.00 C ATOM 0 H ALA A 17 -1.371 9.133 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 17 0.199 6.988 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.435 5.644 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.239 6.791 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.111 7.162 -5.851 1.00 0.00 H new ATOM 272 N ALA A 18 0.547 8.047 -6.980 1.00 0.00 N ATOM 273 CA ALA A 18 1.298 7.877 -8.211 1.00 0.00 C ATOM 274 C ALA A 18 2.785 7.696 -7.897 1.00 0.00 C ATOM 275 O ALA A 18 3.417 6.761 -8.388 1.00 0.00 O ATOM 276 CB ALA A 18 1.042 9.074 -9.133 1.00 0.00 C ATOM 0 H ALA A 18 -0.002 8.906 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 18 0.967 6.978 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.605 8.948 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.022 9.136 -9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.360 9.991 -8.636 1.00 0.00 H new ATOM 282 N GLU A 19 3.317 8.553 -7.030 1.00 0.00 N ATOM 283 CA GLU A 19 4.728 8.563 -6.676 1.00 0.00 C ATOM 284 C GLU A 19 5.012 7.373 -5.757 1.00 0.00 C ATOM 285 O GLU A 19 6.019 6.680 -5.910 1.00 0.00 O ATOM 286 CB GLU A 19 5.087 9.902 -6.009 1.00 0.00 C ATOM 287 CG GLU A 19 4.473 11.143 -6.685 1.00 0.00 C ATOM 288 CD GLU A 19 4.766 11.275 -8.188 1.00 0.00 C ATOM 289 OE1 GLU A 19 4.179 10.542 -9.016 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.463 12.245 -8.567 1.00 0.00 O ATOM 0 H GLU A 19 2.771 9.268 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 19 5.349 8.466 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.762 9.873 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.172 10.009 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.393 11.119 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.843 12.035 -6.178 1.00 0.00 H new ATOM 297 N ALA A 20 4.070 7.081 -4.847 1.00 0.00 N ATOM 298 CA ALA A 20 4.128 5.908 -3.988 1.00 0.00 C ATOM 299 C ALA A 20 4.218 4.641 -4.835 1.00 0.00 C ATOM 300 O ALA A 20 4.924 3.720 -4.459 1.00 0.00 O ATOM 301 CB ALA A 20 2.897 5.848 -3.073 1.00 0.00 C ATOM 0 H ALA A 20 3.245 7.661 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 20 5.018 5.979 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.958 4.964 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.863 6.741 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.994 5.796 -3.681 1.00 0.00 H new ATOM 307 N ILE A 21 3.513 4.597 -5.961 1.00 0.00 N ATOM 308 CA ILE A 21 3.459 3.490 -6.896 1.00 0.00 C ATOM 309 C ILE A 21 4.766 3.361 -7.670 1.00 0.00 C ATOM 310 O ILE A 21 5.122 2.242 -8.036 1.00 0.00 O ATOM 311 CB ILE A 21 2.216 3.700 -7.812 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.990 3.118 -7.082 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.367 3.184 -9.254 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.364 3.442 -7.722 1.00 0.00 C ATOM 0 H ILE A 21 2.932 5.381 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 21 3.346 2.542 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 21 2.089 4.771 -7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.099 2.035 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.988 3.489 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.448 3.378 -9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.198 3.696 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.562 2.112 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.162 2.988 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.504 4.523 -7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.391 3.046 -8.737 1.00 0.00 H new ATOM 326 N GLU A 22 5.499 4.447 -7.936 1.00 0.00 N ATOM 327 CA GLU A 22 6.799 4.290 -8.576 1.00 0.00 C ATOM 328 C GLU A 22 7.717 3.610 -7.545 1.00 0.00 C ATOM 329 O GLU A 22 8.427 2.654 -7.878 1.00 0.00 O ATOM 330 CB GLU A 22 7.374 5.634 -9.059 1.00 0.00 C ATOM 331 CG GLU A 22 8.723 5.387 -9.760 1.00 0.00 C ATOM 332 CD GLU A 22 9.596 6.625 -9.928 1.00 0.00 C ATOM 333 OE1 GLU A 22 9.166 7.596 -10.591 1.00 0.00 O ATOM 334 OE2 GLU A 22 10.760 6.561 -9.458 1.00 0.00 O ATOM 0 H GLU A 22 5.225 5.407 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 22 6.711 3.681 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.677 6.115 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.508 6.310 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.280 4.642 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.531 4.959 -10.744 1.00 0.00 H new ATOM 341 N ARG A 23 7.699 4.086 -6.295 1.00 0.00 N ATOM 342 CA ARG A 23 8.602 3.608 -5.254 1.00 0.00 C ATOM 343 C ARG A 23 8.247 2.183 -4.827 1.00 0.00 C ATOM 344 O ARG A 23 9.145 1.353 -4.696 1.00 0.00 O ATOM 345 CB ARG A 23 8.614 4.615 -4.091 1.00 0.00 C ATOM 346 CG ARG A 23 9.923 4.554 -3.285 1.00 0.00 C ATOM 347 CD ARG A 23 10.052 5.799 -2.397 1.00 0.00 C ATOM 348 NE ARG A 23 11.306 5.816 -1.622 1.00 0.00 N ATOM 349 CZ ARG A 23 11.575 6.628 -0.588 1.00 0.00 C ATOM 350 NH1 ARG A 23 10.715 7.575 -0.212 1.00 0.00 N ATOM 351 NH2 ARG A 23 12.705 6.470 0.089 1.00 0.00 N ATOM 0 H ARG A 23 7.056 4.813 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 23 9.619 3.547 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.477 5.623 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.772 4.414 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.939 3.655 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.774 4.491 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.002 6.692 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.205 5.841 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 23 12.032 5.153 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.834 7.692 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.938 8.182 0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.361 5.736 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.918 7.083 0.876 1.00 0.00 H new ATOM 365 N ASP A 24 6.964 1.887 -4.646 1.00 0.00 N ATOM 366 CA ASP A 24 6.443 0.595 -4.211 1.00 0.00 C ATOM 367 C ASP A 24 6.009 -0.235 -5.424 1.00 0.00 C ATOM 368 O ASP A 24 4.918 -0.013 -5.967 1.00 0.00 O ATOM 369 CB ASP A 24 5.241 0.763 -3.270 1.00 0.00 C ATOM 370 CG ASP A 24 4.769 -0.577 -2.684 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.343 -1.641 -3.026 1.00 0.00 O ATOM 372 OD2 ASP A 24 3.774 -0.566 -1.934 1.00 0.00 O ATOM 0 H ASP A 24 6.225 2.572 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 24 7.242 0.084 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.510 1.438 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.419 1.229 -3.813 1.00 0.00 H new ATOM 377 N PRO A 25 6.800 -1.225 -5.865 1.00 0.00 N ATOM 378 CA PRO A 25 6.414 -2.052 -6.993 1.00 0.00 C ATOM 379 C PRO A 25 5.188 -2.925 -6.681 1.00 0.00 C ATOM 380 O PRO A 25 4.571 -3.435 -7.621 1.00 0.00 O ATOM 381 CB PRO A 25 7.657 -2.876 -7.323 1.00 0.00 C ATOM 382 CG PRO A 25 8.339 -3.031 -5.966 1.00 0.00 C ATOM 383 CD PRO A 25 8.063 -1.684 -5.305 1.00 0.00 C ATOM 0 HA PRO A 25 6.099 -1.452 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.397 -3.842 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.299 -2.367 -8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.920 -3.858 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.407 -3.222 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.998 -1.785 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.864 -0.974 -5.511 1.00 0.00 H new ATOM 391 N TRP A 26 4.815 -3.144 -5.413 1.00 0.00 N ATOM 392 CA TRP A 26 3.583 -3.854 -5.097 1.00 0.00 C ATOM 393 C TRP A 26 2.410 -2.894 -5.246 1.00 0.00 C ATOM 394 O TRP A 26 1.407 -3.297 -5.821 1.00 0.00 O ATOM 395 CB TRP A 26 3.613 -4.483 -3.701 1.00 0.00 C ATOM 396 CG TRP A 26 2.308 -5.087 -3.259 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.710 -4.840 -2.076 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.427 -6.034 -3.946 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.494 -5.485 -2.011 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.291 -6.281 -3.121 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.498 -6.759 -5.153 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.709 -7.198 -3.485 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.581 -7.781 -5.462 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.543 -7.975 -4.644 1.00 0.00 C ATOM 0 H TRP A 26 5.349 -2.839 -4.599 1.00 0.00 H new ATOM 0 HA TRP A 26 3.471 -4.683 -5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.381 -5.256 -3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.909 -3.721 -2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.125 -4.225 -1.291 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.170 -5.387 -1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.279 -6.523 -5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.597 -7.305 -2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.741 -8.412 -6.324 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.279 -8.721 -4.905 1.00 0.00 H new ATOM 415 N ALA A 27 2.510 -1.628 -4.822 1.00 0.00 N ATOM 416 CA ALA A 27 1.431 -0.672 -5.067 1.00 0.00 C ATOM 417 C ALA A 27 1.179 -0.523 -6.574 1.00 0.00 C ATOM 418 O ALA A 27 0.025 -0.408 -6.996 1.00 0.00 O ATOM 419 CB ALA A 27 1.730 0.688 -4.436 1.00 0.00 C ATOM 0 H ALA A 27 3.312 -1.250 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 27 0.529 -1.062 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.906 1.372 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.848 0.571 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.650 1.092 -4.860 1.00 0.00 H new ATOM 425 N ALA A 28 2.242 -0.562 -7.387 1.00 0.00 N ATOM 426 CA ALA A 28 2.131 -0.545 -8.838 1.00 0.00 C ATOM 427 C ALA A 28 1.295 -1.725 -9.308 1.00 0.00 C ATOM 428 O ALA A 28 0.311 -1.553 -10.037 1.00 0.00 O ATOM 429 CB ALA A 28 3.522 -0.582 -9.481 1.00 0.00 C ATOM 0 H ALA A 28 3.203 -0.606 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 28 1.638 0.378 -9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.422 -0.569 -10.566 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.095 0.288 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.040 -1.491 -9.176 1.00 0.00 H new ATOM 435 N GLN A 29 1.680 -2.917 -8.851 1.00 0.00 N ATOM 436 CA GLN A 29 0.971 -4.148 -9.155 1.00 0.00 C ATOM 437 C GLN A 29 -0.485 -4.046 -8.694 1.00 0.00 C ATOM 438 O GLN A 29 -1.372 -4.411 -9.453 1.00 0.00 O ATOM 439 CB GLN A 29 1.704 -5.348 -8.529 1.00 0.00 C ATOM 440 CG GLN A 29 2.885 -5.789 -9.406 1.00 0.00 C ATOM 441 CD GLN A 29 3.573 -7.077 -8.946 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.327 -7.624 -7.874 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.444 -7.608 -9.785 1.00 0.00 N ATOM 0 H GLN A 29 2.498 -3.050 -8.256 1.00 0.00 H new ATOM 0 HA GLN A 29 0.956 -4.306 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.064 -5.081 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.009 -6.178 -8.404 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.531 -5.927 -10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.623 -4.987 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.643 -7.147 -10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.918 -8.479 -9.545 1.00 0.00 H new ATOM 452 N VAL A 30 -0.771 -3.501 -7.512 1.00 0.00 N ATOM 453 CA VAL A 30 -2.110 -3.369 -6.946 1.00 0.00 C ATOM 454 C VAL A 30 -3.012 -2.556 -7.864 1.00 0.00 C ATOM 455 O VAL A 30 -4.155 -2.958 -8.105 1.00 0.00 O ATOM 456 CB VAL A 30 -1.990 -2.778 -5.522 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.238 -2.056 -4.991 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.615 -3.918 -4.577 1.00 0.00 C ATOM 0 H VAL A 30 -0.047 -3.125 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.586 -4.346 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.229 -2.000 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.042 -1.682 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.482 -1.221 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.076 -2.752 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.522 -3.533 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.390 -4.684 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.665 -4.351 -4.889 1.00 0.00 H new ATOM 468 N SER A 31 -2.505 -1.448 -8.407 1.00 0.00 N ATOM 469 CA SER A 31 -3.295 -0.631 -9.315 1.00 0.00 C ATOM 470 C SER A 31 -3.643 -1.421 -10.583 1.00 0.00 C ATOM 471 O SER A 31 -4.721 -1.229 -11.151 1.00 0.00 O ATOM 472 CB SER A 31 -2.549 0.676 -9.622 1.00 0.00 C ATOM 473 OG SER A 31 -3.455 1.768 -9.679 1.00 0.00 O ATOM 0 H SER A 31 -1.561 -1.103 -8.233 1.00 0.00 H new ATOM 0 HA SER A 31 -4.240 -0.365 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.797 0.860 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.021 0.585 -10.571 1.00 0.00 H new ATOM 0 HG SER A 31 -2.962 2.592 -9.874 1.00 0.00 H new ATOM 479 N GLN A 32 -2.776 -2.350 -10.986 1.00 0.00 N ATOM 480 CA GLN A 32 -2.941 -3.172 -12.174 1.00 0.00 C ATOM 481 C GLN A 32 -3.803 -4.410 -11.875 1.00 0.00 C ATOM 482 O GLN A 32 -4.513 -4.893 -12.758 1.00 0.00 O ATOM 483 CB GLN A 32 -1.528 -3.511 -12.666 1.00 0.00 C ATOM 484 CG GLN A 32 -1.482 -4.352 -13.942 1.00 0.00 C ATOM 485 CD GLN A 32 -0.124 -4.184 -14.611 1.00 0.00 C ATOM 486 OE1 GLN A 32 0.727 -5.067 -14.589 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.136 -3.048 -15.226 1.00 0.00 N ATOM 0 H GLN A 32 -1.916 -2.553 -10.477 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.481 -2.647 -12.962 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.985 -2.582 -12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.001 -4.045 -11.876 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.655 -5.402 -13.705 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.276 -4.044 -14.623 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.566 -2.308 -15.249 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.039 -2.908 -15.679 1.00 0.00 H new ATOM 496 N LEU A 33 -3.810 -4.897 -10.629 1.00 0.00 N ATOM 497 CA LEU A 33 -4.666 -5.993 -10.168 1.00 0.00 C ATOM 498 C LEU A 33 -6.125 -5.550 -10.072 1.00 0.00 C ATOM 499 O LEU A 33 -7.020 -6.395 -10.020 1.00 0.00 O ATOM 500 CB LEU A 33 -4.234 -6.504 -8.777 1.00 0.00 C ATOM 501 CG LEU A 33 -2.861 -7.189 -8.649 1.00 0.00 C ATOM 502 CD1 LEU A 33 -2.852 -8.140 -7.450 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.452 -7.944 -9.911 1.00 0.00 C ATOM 0 H LEU A 33 -3.204 -4.529 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.563 -6.792 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.249 -5.657 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.991 -7.208 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.130 -6.395 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.875 -8.617 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.056 -7.578 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.619 -8.903 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.476 -8.405 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.189 -8.717 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.398 -7.249 -10.749 1.00 0.00 H new ATOM 515 N SER A 34 -6.343 -4.233 -10.030 1.00 0.00 N ATOM 516 CA SER A 34 -7.630 -3.563 -9.935 1.00 0.00 C ATOM 517 C SER A 34 -8.489 -4.227 -8.849 1.00 0.00 C ATOM 518 O SER A 34 -9.590 -4.722 -9.107 1.00 0.00 O ATOM 519 CB SER A 34 -8.261 -3.514 -11.341 1.00 0.00 C ATOM 520 OG SER A 34 -9.338 -2.596 -11.429 1.00 0.00 O ATOM 0 H SER A 34 -5.570 -3.568 -10.064 1.00 0.00 H new ATOM 0 HA SER A 34 -7.530 -2.527 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.496 -3.240 -12.068 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.615 -4.509 -11.610 1.00 0.00 H new ATOM 0 HG SER A 34 -9.700 -2.603 -12.340 1.00 0.00 H new ATOM 526 N LEU A 35 -7.974 -4.303 -7.617 1.00 0.00 N ATOM 527 CA LEU A 35 -8.745 -4.857 -6.507 1.00 0.00 C ATOM 528 C LEU A 35 -9.933 -3.926 -6.244 1.00 0.00 C ATOM 529 O LEU A 35 -9.708 -2.719 -6.171 1.00 0.00 O ATOM 530 CB LEU A 35 -7.912 -4.976 -5.226 1.00 0.00 C ATOM 531 CG LEU A 35 -6.718 -5.950 -5.200 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.854 -7.160 -6.133 1.00 0.00 C ATOM 533 CD2 LEU A 35 -5.430 -5.177 -5.459 1.00 0.00 C ATOM 0 H LEU A 35 -7.036 -3.990 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.072 -5.860 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.532 -3.983 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.587 -5.261 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.695 -6.389 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.967 -7.788 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.736 -7.737 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.956 -6.816 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.584 -5.864 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.485 -4.694 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.299 -4.419 -4.686 1.00 0.00 H new ATOM 545 N PRO A 36 -11.169 -4.431 -6.069 1.00 0.00 N ATOM 546 CA PRO A 36 -12.346 -3.581 -5.943 1.00 0.00 C ATOM 547 C PRO A 36 -12.310 -2.679 -4.703 1.00 0.00 C ATOM 548 O PRO A 36 -12.126 -1.475 -4.865 1.00 0.00 O ATOM 549 CB PRO A 36 -13.565 -4.502 -6.033 1.00 0.00 C ATOM 550 CG PRO A 36 -13.009 -5.883 -5.697 1.00 0.00 C ATOM 551 CD PRO A 36 -11.573 -5.820 -6.210 1.00 0.00 C ATOM 0 HA PRO A 36 -12.388 -2.852 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.344 -4.203 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.008 -4.481 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.045 -6.081 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.576 -6.675 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.922 -6.478 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.514 -6.142 -7.250 1.00 0.00 H new ATOM 559 N LYS A 37 -12.540 -3.190 -3.479 1.00 0.00 N ATOM 560 CA LYS A 37 -12.553 -2.321 -2.292 1.00 0.00 C ATOM 561 C LYS A 37 -12.136 -3.039 -1.015 1.00 0.00 C ATOM 562 O LYS A 37 -11.170 -2.632 -0.370 1.00 0.00 O ATOM 563 CB LYS A 37 -13.932 -1.658 -2.133 1.00 0.00 C ATOM 564 CG LYS A 37 -13.798 -0.200 -1.689 1.00 0.00 C ATOM 565 CD LYS A 37 -13.355 0.710 -2.841 1.00 0.00 C ATOM 566 CE LYS A 37 -13.302 2.169 -2.413 1.00 0.00 C ATOM 567 NZ LYS A 37 -12.230 2.411 -1.431 1.00 0.00 N ATOM 0 H LYS A 37 -12.715 -4.177 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.802 -1.549 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.472 -1.705 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.522 -2.211 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.753 0.149 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.076 -0.133 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.372 0.398 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.045 0.600 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.143 2.799 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.261 2.457 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.949 3.412 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.574 2.178 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.410 1.814 -1.658 1.00 0.00 H new ATOM 581 N LEU A 38 -12.811 -4.132 -0.664 1.00 0.00 N ATOM 582 CA LEU A 38 -12.409 -4.961 0.467 1.00 0.00 C ATOM 583 C LEU A 38 -11.037 -5.551 0.147 1.00 0.00 C ATOM 584 O LEU A 38 -10.115 -5.488 0.954 1.00 0.00 O ATOM 585 CB LEU A 38 -13.452 -6.068 0.693 1.00 0.00 C ATOM 586 CG LEU A 38 -13.183 -6.935 1.934 1.00 0.00 C ATOM 587 CD1 LEU A 38 -13.515 -6.171 3.220 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.032 -8.211 1.878 1.00 0.00 C ATOM 0 H LEU A 38 -13.643 -4.464 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.348 -4.373 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.437 -5.611 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.482 -6.710 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.124 -7.193 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.316 -6.807 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.898 -5.274 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.567 -5.888 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.834 -8.819 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.088 -7.944 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.777 -8.779 0.983 1.00 0.00 H new ATOM 600 N VAL A 39 -10.892 -6.077 -1.070 1.00 0.00 N ATOM 601 CA VAL A 39 -9.656 -6.669 -1.561 1.00 0.00 C ATOM 602 C VAL A 39 -8.587 -5.581 -1.744 1.00 0.00 C ATOM 603 O VAL A 39 -7.402 -5.868 -1.610 1.00 0.00 O ATOM 604 CB VAL A 39 -9.924 -7.468 -2.855 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.803 -8.479 -3.124 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.275 -8.199 -2.816 1.00 0.00 C ATOM 0 H VAL A 39 -11.649 -6.102 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.269 -7.376 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.954 -6.740 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.019 -9.027 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.855 -7.951 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.736 -9.179 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.419 -8.747 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.287 -8.897 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.078 -7.472 -2.694 1.00 0.00 H new ATOM 616 N GLU A 40 -8.988 -4.331 -2.021 1.00 0.00 N ATOM 617 CA GLU A 40 -8.058 -3.203 -2.081 1.00 0.00 C ATOM 618 C GLU A 40 -7.473 -3.048 -0.675 1.00 0.00 C ATOM 619 O GLU A 40 -6.255 -3.057 -0.528 1.00 0.00 O ATOM 620 CB GLU A 40 -8.777 -1.932 -2.583 1.00 0.00 C ATOM 621 CG GLU A 40 -7.968 -0.631 -2.452 1.00 0.00 C ATOM 622 CD GLU A 40 -8.831 0.626 -2.649 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.703 0.923 -1.791 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.595 1.387 -3.615 1.00 0.00 O ATOM 0 H GLU A 40 -9.959 -4.079 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.251 -3.375 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.042 -2.073 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.710 -1.819 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.501 -0.596 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.163 -0.633 -3.187 1.00 0.00 H new ATOM 631 N GLN A 41 -8.316 -3.000 0.366 1.00 0.00 N ATOM 632 CA GLN A 41 -7.873 -2.878 1.751 1.00 0.00 C ATOM 633 C GLN A 41 -6.876 -3.990 2.095 1.00 0.00 C ATOM 634 O GLN A 41 -5.885 -3.726 2.770 1.00 0.00 O ATOM 635 CB GLN A 41 -9.084 -2.924 2.709 1.00 0.00 C ATOM 636 CG GLN A 41 -8.857 -2.098 3.984 1.00 0.00 C ATOM 637 CD GLN A 41 -10.020 -2.173 4.978 1.00 0.00 C ATOM 638 OE1 GLN A 41 -9.814 -2.160 6.191 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.258 -2.241 4.519 1.00 0.00 N ATOM 0 H GLN A 41 -9.330 -3.045 0.264 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.373 -1.917 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.967 -2.551 2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.288 -3.959 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.948 -2.445 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.693 -1.056 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.429 -2.252 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.042 -2.283 5.170 1.00 0.00 H new ATOM 648 N VAL A 42 -7.122 -5.215 1.630 1.00 0.00 N ATOM 649 CA VAL A 42 -6.262 -6.374 1.844 1.00 0.00 C ATOM 650 C VAL A 42 -4.914 -6.169 1.170 1.00 0.00 C ATOM 651 O VAL A 42 -3.877 -6.298 1.820 1.00 0.00 O ATOM 652 CB VAL A 42 -6.994 -7.638 1.351 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.155 -8.917 1.284 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.115 -7.904 2.340 1.00 0.00 C ATOM 0 H VAL A 42 -7.951 -5.432 1.077 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.054 -6.502 2.906 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.308 -7.428 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.773 -9.739 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.318 -8.768 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.776 -9.156 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.666 -8.793 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.694 -8.061 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.790 -7.049 2.363 1.00 0.00 H new ATOM 664 N ALA A 43 -4.899 -5.860 -0.123 1.00 0.00 N ATOM 665 CA ALA A 43 -3.652 -5.694 -0.839 1.00 0.00 C ATOM 666 C ALA A 43 -2.844 -4.519 -0.276 1.00 0.00 C ATOM 667 O ALA A 43 -1.621 -4.595 -0.211 1.00 0.00 O ATOM 668 CB ALA A 43 -3.957 -5.511 -2.318 1.00 0.00 C ATOM 0 H ALA A 43 -5.736 -5.721 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.035 -6.584 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.025 -5.385 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.484 -6.389 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.581 -4.628 -2.454 1.00 0.00 H new ATOM 674 N LEU A 44 -3.528 -3.459 0.164 1.00 0.00 N ATOM 675 CA LEU A 44 -2.946 -2.263 0.751 1.00 0.00 C ATOM 676 C LEU A 44 -2.389 -2.557 2.141 1.00 0.00 C ATOM 677 O LEU A 44 -1.359 -1.992 2.502 1.00 0.00 O ATOM 678 CB LEU A 44 -3.989 -1.130 0.857 1.00 0.00 C ATOM 679 CG LEU A 44 -4.387 -0.418 -0.454 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.410 0.673 -0.121 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.213 0.230 -1.191 1.00 0.00 C ATOM 0 H LEU A 44 -4.546 -3.416 0.116 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.136 -1.943 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.892 -1.542 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.604 -0.379 1.547 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.792 -1.183 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.704 1.188 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.289 0.220 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.967 1.388 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.574 0.709 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.747 0.977 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.480 -0.534 -1.450 1.00 0.00 H new ATOM 693 N ASN A 45 -3.049 -3.406 2.944 1.00 0.00 N ATOM 694 CA ASN A 45 -2.607 -3.670 4.316 1.00 0.00 C ATOM 695 C ASN A 45 -1.505 -4.727 4.368 1.00 0.00 C ATOM 696 O ASN A 45 -1.155 -5.174 5.462 1.00 0.00 O ATOM 697 CB ASN A 45 -3.790 -4.028 5.237 1.00 0.00 C ATOM 698 CG ASN A 45 -4.431 -2.765 5.787 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.132 -2.332 6.892 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.296 -2.121 5.028 1.00 0.00 N ATOM 0 H ASN A 45 -3.886 -3.918 2.666 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.174 -2.744 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.529 -4.607 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.443 -4.655 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.721 -1.256 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.540 -2.488 4.108 1.00 0.00 H new ATOM 707 N ALA A 46 -0.952 -5.149 3.226 1.00 0.00 N ATOM 708 CA ALA A 46 0.086 -6.155 3.175 1.00 0.00 C ATOM 709 C ALA A 46 1.231 -5.737 2.279 1.00 0.00 C ATOM 710 O ALA A 46 1.046 -4.999 1.318 1.00 0.00 O ATOM 711 CB ALA A 46 -0.506 -7.450 2.622 1.00 0.00 C ATOM 0 H ALA A 46 -1.222 -4.792 2.310 1.00 0.00 H new ATOM 0 HA ALA A 46 0.469 -6.291 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.269 -8.215 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.314 -7.787 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.896 -7.273 1.620 1.00 0.00 H new ATOM 717 N TRP A 47 2.403 -6.282 2.571 1.00 0.00 N ATOM 718 CA TRP A 47 3.595 -6.126 1.756 1.00 0.00 C ATOM 719 C TRP A 47 3.762 -7.482 1.084 1.00 0.00 C ATOM 720 O TRP A 47 3.490 -8.534 1.676 1.00 0.00 O ATOM 721 CB TRP A 47 4.808 -5.685 2.574 1.00 0.00 C ATOM 722 CG TRP A 47 5.192 -6.543 3.737 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.725 -6.382 4.992 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.160 -7.637 3.809 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.369 -7.253 5.839 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.293 -8.023 5.175 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.966 -8.328 2.878 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.184 -9.014 5.603 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.861 -9.329 3.301 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.976 -9.669 4.655 1.00 0.00 C ATOM 0 H TRP A 47 2.553 -6.857 3.400 1.00 0.00 H new ATOM 0 HA TRP A 47 3.502 -5.328 1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.664 -5.622 1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.618 -4.678 2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.962 -5.677 5.287 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.183 -7.319 6.840 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.895 -8.085 1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.259 -9.269 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.468 -9.843 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.673 -10.433 4.965 1.00 0.00 H new ATOM 741 N LYS A 48 4.142 -7.457 -0.185 1.00 0.00 N ATOM 742 CA LYS A 48 4.208 -8.645 -1.007 1.00 0.00 C ATOM 743 C LYS A 48 5.584 -9.272 -0.990 1.00 0.00 C ATOM 744 O LYS A 48 6.495 -8.744 -1.625 1.00 0.00 O ATOM 745 CB LYS A 48 3.801 -8.227 -2.427 1.00 0.00 C ATOM 746 CG LYS A 48 3.712 -9.398 -3.402 1.00 0.00 C ATOM 747 CD LYS A 48 4.042 -8.972 -4.839 1.00 0.00 C ATOM 748 CE LYS A 48 5.539 -8.955 -5.132 1.00 0.00 C ATOM 749 NZ LYS A 48 5.773 -8.596 -6.542 1.00 0.00 N ATOM 0 H LYS A 48 4.414 -6.603 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 48 3.534 -9.409 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.835 -7.723 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.523 -7.503 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.400 -10.184 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.708 -9.821 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.550 -9.652 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.632 -7.979 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.038 -8.239 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.970 -9.934 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.107 -9.432 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.886 -8.256 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.491 -7.846 -6.595 1.00 0.00 H new ATOM 763 N GLU A 49 5.753 -10.339 -0.224 1.00 0.00 N ATOM 764 CA GLU A 49 6.991 -11.088 -0.266 1.00 0.00 C ATOM 765 C GLU A 49 6.838 -11.978 -1.498 1.00 0.00 C ATOM 766 O GLU A 49 5.735 -12.450 -1.793 1.00 0.00 O ATOM 767 CB GLU A 49 7.141 -11.940 0.994 1.00 0.00 C ATOM 768 CG GLU A 49 8.539 -12.555 1.098 1.00 0.00 C ATOM 769 CD GLU A 49 8.720 -13.251 2.442 1.00 0.00 C ATOM 770 OE1 GLU A 49 8.012 -14.260 2.668 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.508 -12.784 3.300 1.00 0.00 O ATOM 0 H GLU A 49 5.055 -10.700 0.426 1.00 0.00 H new ATOM 0 HA GLU A 49 7.872 -10.448 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.947 -11.326 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.394 -12.734 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.689 -13.270 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.294 -11.778 0.980 1.00 0.00 H new ATOM 778 N GLU A 50 7.919 -12.244 -2.211 1.00 0.00 N ATOM 779 CA GLU A 50 7.903 -13.120 -3.362 1.00 0.00 C ATOM 780 C GLU A 50 8.971 -14.179 -3.123 1.00 0.00 C ATOM 781 O GLU A 50 10.143 -13.875 -2.903 1.00 0.00 O ATOM 782 CB GLU A 50 8.021 -12.274 -4.627 1.00 0.00 C ATOM 783 CG GLU A 50 8.176 -13.121 -5.885 1.00 0.00 C ATOM 784 CD GLU A 50 8.027 -12.256 -7.129 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.988 -11.543 -7.504 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.933 -12.240 -7.735 1.00 0.00 O ATOM 0 H GLU A 50 8.838 -11.853 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 50 6.972 -13.668 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.136 -11.645 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.878 -11.606 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.152 -13.606 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.427 -13.913 -5.893 1.00 0.00 H new ATOM 793 N SER A 51 8.521 -15.425 -3.033 1.00 0.00 N ATOM 794 CA SER A 51 9.326 -16.614 -2.865 1.00 0.00 C ATOM 795 C SER A 51 9.865 -17.028 -4.236 1.00 0.00 C ATOM 796 O SER A 51 9.560 -16.377 -5.241 1.00 0.00 O ATOM 797 CB SER A 51 8.452 -17.725 -2.276 1.00 0.00 C ATOM 798 OG SER A 51 7.685 -17.301 -1.155 1.00 0.00 O ATOM 0 H SER A 51 7.524 -15.637 -3.079 1.00 0.00 H new ATOM 0 HA SER A 51 10.161 -16.427 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.779 -18.097 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.088 -18.559 -1.978 1.00 0.00 H new ATOM 0 HG SER A 51 7.147 -18.051 -0.824 1.00 0.00 H new ATOM 804 N ASP A 52 10.658 -18.099 -4.284 1.00 0.00 N ATOM 805 CA ASP A 52 11.159 -18.718 -5.515 1.00 0.00 C ATOM 806 C ASP A 52 10.110 -18.713 -6.631 1.00 0.00 C ATOM 807 O ASP A 52 10.391 -18.229 -7.729 1.00 0.00 O ATOM 808 CB ASP A 52 11.572 -20.168 -5.247 1.00 0.00 C ATOM 809 CG ASP A 52 11.867 -20.898 -6.561 1.00 0.00 C ATOM 810 OD1 ASP A 52 12.757 -20.457 -7.322 1.00 0.00 O ATOM 811 OD2 ASP A 52 11.134 -21.859 -6.885 1.00 0.00 O ATOM 0 H ASP A 52 10.980 -18.576 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 52 12.016 -18.128 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.455 -20.188 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.777 -20.684 -4.709 1.00 0.00 H new ATOM 816 N ASN A 53 8.908 -19.225 -6.352 1.00 0.00 N ATOM 817 CA ASN A 53 7.812 -19.270 -7.330 1.00 0.00 C ATOM 818 C ASN A 53 6.435 -18.961 -6.723 1.00 0.00 C ATOM 819 O ASN A 53 5.403 -19.278 -7.316 1.00 0.00 O ATOM 820 CB ASN A 53 7.816 -20.620 -8.063 1.00 0.00 C ATOM 821 CG ASN A 53 7.425 -20.436 -9.524 1.00 0.00 C ATOM 822 OD1 ASN A 53 6.260 -20.528 -9.898 1.00 0.00 O ATOM 823 ND2 ASN A 53 8.391 -20.139 -10.380 1.00 0.00 N ATOM 0 H ASN A 53 8.665 -19.620 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 53 7.994 -18.472 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.806 -21.072 -8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.121 -21.306 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.171 -19.984 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.355 -20.066 -10.056 1.00 0.00 H new ATOM 830 N ALA A 54 6.385 -18.363 -5.527 1.00 0.00 N ATOM 831 CA ALA A 54 5.138 -18.028 -4.858 1.00 0.00 C ATOM 832 C ALA A 54 5.171 -16.553 -4.498 1.00 0.00 C ATOM 833 O ALA A 54 6.221 -15.911 -4.586 1.00 0.00 O ATOM 834 CB ALA A 54 4.986 -18.891 -3.598 1.00 0.00 C ATOM 0 H ALA A 54 7.217 -18.099 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 54 4.287 -18.223 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.052 -18.640 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.977 -19.945 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.822 -18.702 -2.924 1.00 0.00 H new ATOM 840 N VAL A 55 4.032 -16.017 -4.080 1.00 0.00 N ATOM 841 CA VAL A 55 3.893 -14.621 -3.692 1.00 0.00 C ATOM 842 C VAL A 55 3.082 -14.612 -2.394 1.00 0.00 C ATOM 843 O VAL A 55 1.895 -14.925 -2.396 1.00 0.00 O ATOM 844 CB VAL A 55 3.297 -13.816 -4.869 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.197 -12.331 -4.539 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.188 -13.879 -6.124 1.00 0.00 C ATOM 0 H VAL A 55 3.165 -16.549 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 55 4.840 -14.122 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 55 2.320 -14.265 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.774 -11.797 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.555 -12.194 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.191 -11.939 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.730 -13.299 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.170 -13.466 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.295 -14.916 -6.442 1.00 0.00 H new ATOM 856 N CYS A 56 3.731 -14.347 -1.261 1.00 0.00 N ATOM 857 CA CYS A 56 3.122 -14.397 0.061 1.00 0.00 C ATOM 858 C CYS A 56 2.854 -12.964 0.522 1.00 0.00 C ATOM 859 O CYS A 56 3.790 -12.205 0.759 1.00 0.00 O ATOM 860 CB CYS A 56 4.027 -15.154 1.044 1.00 0.00 C ATOM 861 SG CYS A 56 4.258 -16.871 0.496 1.00 0.00 S ATOM 0 H CYS A 56 4.717 -14.086 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 56 2.178 -14.940 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.994 -14.655 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.585 -15.140 2.040 1.00 0.00 H new ATOM 0 HG CYS A 56 5.027 -17.495 1.338 1.00 0.00 H new ATOM 867 N LEU A 57 1.590 -12.566 0.638 1.00 0.00 N ATOM 868 CA LEU A 57 1.213 -11.238 1.110 1.00 0.00 C ATOM 869 C LEU A 57 1.212 -11.216 2.631 1.00 0.00 C ATOM 870 O LEU A 57 0.351 -11.818 3.265 1.00 0.00 O ATOM 871 CB LEU A 57 -0.144 -10.812 0.525 1.00 0.00 C ATOM 872 CG LEU A 57 0.068 -10.133 -0.837 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.222 -10.036 -1.643 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.598 -8.705 -0.680 1.00 0.00 C ATOM 0 H LEU A 57 0.794 -13.160 0.406 1.00 0.00 H new ATOM 0 HA LEU A 57 1.947 -10.511 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.791 -11.682 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.647 -10.128 1.209 1.00 0.00 H new ATOM 0 HG LEU A 57 0.791 -10.761 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.019 -9.549 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.615 -11.037 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.956 -9.453 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.735 -8.258 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.116 -8.112 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.553 -8.727 -0.155 1.00 0.00 H new ATOM 886 N HIS A 58 2.189 -10.534 3.216 1.00 0.00 N ATOM 887 CA HIS A 58 2.341 -10.359 4.654 1.00 0.00 C ATOM 888 C HIS A 58 1.427 -9.225 5.124 1.00 0.00 C ATOM 889 O HIS A 58 1.833 -8.059 5.098 1.00 0.00 O ATOM 890 CB HIS A 58 3.815 -10.048 4.934 1.00 0.00 C ATOM 891 CG HIS A 58 4.748 -11.234 4.908 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.523 -11.675 5.966 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.094 -11.955 3.801 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.326 -12.648 5.497 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.074 -12.850 4.191 1.00 0.00 N ATOM 0 H HIS A 58 2.924 -10.071 2.682 1.00 0.00 H new ATOM 0 HA HIS A 58 2.056 -11.260 5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.160 -9.321 4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.888 -9.572 5.912 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.492 -11.327 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.681 -11.847 2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.060 -13.184 6.080 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.526 -13.542 3.593 1.00 0.00 H new ATOM 904 N LEU A 59 0.190 -9.537 5.510 1.00 0.00 N ATOM 905 CA LEU A 59 -0.828 -8.564 5.907 1.00 0.00 C ATOM 906 C LEU A 59 -0.713 -8.262 7.392 1.00 0.00 C ATOM 907 O LEU A 59 -0.598 -9.190 8.185 1.00 0.00 O ATOM 908 CB LEU A 59 -2.227 -9.137 5.616 1.00 0.00 C ATOM 909 CG LEU A 59 -3.349 -8.108 5.902 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.094 -7.717 4.632 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.378 -8.635 6.890 1.00 0.00 C ATOM 0 H LEU A 59 -0.141 -10.501 5.557 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.678 -7.645 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.280 -9.450 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.388 -10.027 6.225 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.842 -7.241 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.873 -6.994 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.396 -7.273 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.548 -8.603 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.143 -7.877 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.841 -9.536 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.888 -8.871 7.835 1.00 0.00 H new ATOM 923 N ARG A 60 -0.799 -6.985 7.779 1.00 0.00 N ATOM 924 CA ARG A 60 -0.680 -6.594 9.178 1.00 0.00 C ATOM 925 C ARG A 60 -1.671 -7.352 10.047 1.00 0.00 C ATOM 926 O ARG A 60 -2.880 -7.325 9.795 1.00 0.00 O ATOM 927 CB ARG A 60 -0.811 -5.081 9.382 1.00 0.00 C ATOM 928 CG ARG A 60 0.353 -4.298 8.750 1.00 0.00 C ATOM 929 CD ARG A 60 1.660 -4.524 9.528 1.00 0.00 C ATOM 930 NE ARG A 60 2.803 -3.847 8.888 1.00 0.00 N ATOM 931 CZ ARG A 60 3.312 -2.661 9.240 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.911 -2.084 10.370 1.00 0.00 N ATOM 933 NH2 ARG A 60 4.225 -2.050 8.488 1.00 0.00 N ATOM 0 H ARG A 60 -0.951 -6.207 7.138 1.00 0.00 H new ATOM 0 HA ARG A 60 0.328 -6.865 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.751 -4.739 8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.853 -4.864 10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.485 -4.610 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.114 -3.235 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.544 -4.156 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.862 -5.593 9.596 1.00 0.00 H new ATOM 0 HE ARG A 60 3.246 -4.327 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.220 -2.546 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.295 -1.180 10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.549 -2.486 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.600 -1.146 8.775 1.00 0.00 H new ATOM 947 N SER A 61 -1.167 -7.973 11.111 1.00 0.00 N ATOM 948 CA SER A 61 -1.945 -8.709 12.090 1.00 0.00 C ATOM 949 C SER A 61 -3.040 -7.835 12.686 1.00 0.00 C ATOM 950 O SER A 61 -4.131 -8.327 12.986 1.00 0.00 O ATOM 951 CB SER A 61 -1.021 -9.186 13.204 1.00 0.00 C ATOM 952 OG SER A 61 -0.075 -10.114 12.720 1.00 0.00 O ATOM 0 H SER A 61 -0.168 -7.974 11.318 1.00 0.00 H new ATOM 0 HA SER A 61 -2.414 -9.559 11.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.505 -8.332 13.643 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.611 -9.644 13.998 1.00 0.00 H new ATOM 0 HG SER A 61 0.506 -10.402 13.455 1.00 0.00 H new ATOM 958 N SER A 62 -2.781 -6.532 12.808 1.00 0.00 N ATOM 959 CA SER A 62 -3.711 -5.595 13.428 1.00 0.00 C ATOM 960 C SER A 62 -4.963 -5.392 12.557 1.00 0.00 C ATOM 961 O SER A 62 -5.995 -4.925 13.040 1.00 0.00 O ATOM 962 CB SER A 62 -2.985 -4.274 13.711 1.00 0.00 C ATOM 963 OG SER A 62 -1.656 -4.490 14.163 1.00 0.00 O ATOM 0 H SER A 62 -1.918 -6.099 12.478 1.00 0.00 H new ATOM 0 HA SER A 62 -4.060 -6.007 14.375 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.967 -3.668 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.537 -3.709 14.462 1.00 0.00 H new ATOM 0 HG SER A 62 -1.223 -3.627 14.332 1.00 0.00 H new ATOM 969 N GLN A 63 -4.904 -5.799 11.287 1.00 0.00 N ATOM 970 CA GLN A 63 -5.973 -5.747 10.309 1.00 0.00 C ATOM 971 C GLN A 63 -6.279 -7.154 9.778 1.00 0.00 C ATOM 972 O GLN A 63 -6.945 -7.276 8.751 1.00 0.00 O ATOM 973 CB GLN A 63 -5.608 -4.754 9.186 1.00 0.00 C ATOM 974 CG GLN A 63 -5.695 -3.281 9.623 1.00 0.00 C ATOM 975 CD GLN A 63 -4.455 -2.720 10.326 1.00 0.00 C ATOM 976 OE1 GLN A 63 -3.411 -3.355 10.455 1.00 0.00 O ATOM 977 NE2 GLN A 63 -4.543 -1.500 10.824 1.00 0.00 N ATOM 0 H GLN A 63 -4.050 -6.198 10.898 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.886 -5.383 10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.596 -4.964 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.274 -4.914 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.897 -2.672 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.550 -3.169 10.290 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.407 -0.968 10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.747 -1.090 11.312 1.00 0.00 H new ATOM 986 N ARG A 64 -5.884 -8.241 10.465 1.00 0.00 N ATOM 987 CA ARG A 64 -6.057 -9.603 9.965 1.00 0.00 C ATOM 988 C ARG A 64 -7.524 -9.938 9.692 1.00 0.00 C ATOM 989 O ARG A 64 -7.803 -10.810 8.878 1.00 0.00 O ATOM 990 CB ARG A 64 -5.341 -10.560 10.927 1.00 0.00 C ATOM 991 CG ARG A 64 -5.337 -12.020 10.473 1.00 0.00 C ATOM 992 CD ARG A 64 -6.583 -12.755 10.963 1.00 0.00 C ATOM 993 NE ARG A 64 -7.199 -13.571 9.907 1.00 0.00 N ATOM 994 CZ ARG A 64 -6.837 -14.785 9.482 1.00 0.00 C ATOM 995 NH1 ARG A 64 -5.756 -15.399 9.958 1.00 0.00 N ATOM 996 NH2 ARG A 64 -7.584 -15.384 8.565 1.00 0.00 N ATOM 0 H ARG A 64 -5.437 -8.193 11.381 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.593 -9.714 8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.311 -10.228 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.817 -10.497 11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.290 -12.065 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.445 -12.519 10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.318 -13.394 11.805 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.310 -12.030 11.330 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.006 -13.158 9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.180 -14.943 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.503 -16.326 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.414 -14.918 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.328 -16.311 8.225 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.469 -9.194 10.267 1.00 0.00 N ATOM 1011 CA HIS A 65 -9.901 -9.309 9.993 1.00 0.00 C ATOM 1012 C HIS A 65 -10.219 -9.135 8.503 1.00 0.00 C ATOM 1013 O HIS A 65 -11.311 -9.507 8.075 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.657 -8.239 10.802 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.148 -8.117 12.216 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -9.623 -6.985 12.816 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -9.985 -9.167 13.070 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -9.123 -7.358 14.008 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -9.320 -8.679 14.172 1.00 0.00 N ATOM 0 H HIS A 65 -8.253 -8.474 10.956 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.218 -10.310 10.285 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.563 -7.276 10.301 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.719 -8.486 10.821 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.314 -10.184 12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.641 -6.703 14.719 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.025 -9.228 14.980 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.323 -8.527 7.720 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.480 -8.348 6.286 1.00 0.00 C ATOM 1030 C LEU A 66 -8.897 -9.534 5.505 1.00 0.00 C ATOM 1031 O LEU A 66 -9.345 -9.759 4.385 1.00 0.00 O ATOM 1032 CB LEU A 66 -8.827 -7.020 5.835 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.577 -5.704 6.124 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -10.988 -5.721 5.531 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -9.640 -5.364 7.615 1.00 0.00 C ATOM 0 H LEU A 66 -8.451 -8.139 8.080 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.547 -8.304 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.846 -6.955 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.661 -7.079 4.759 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.996 -4.921 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.488 -4.778 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.927 -5.853 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.555 -6.544 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.180 -4.427 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.156 -6.162 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.628 -5.260 8.008 1.00 0.00 H new ATOM 1047 N ASN A 67 -7.939 -10.301 6.045 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.377 -11.506 5.416 1.00 0.00 C ATOM 1049 C ASN A 67 -8.443 -12.601 5.430 1.00 0.00 C ATOM 1050 O ASN A 67 -8.596 -13.311 6.428 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.082 -11.938 6.133 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.681 -13.381 5.886 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.429 -14.138 6.814 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.559 -13.793 4.643 1.00 0.00 N ATOM 0 H ASN A 67 -7.523 -10.096 6.953 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.102 -11.302 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.269 -11.287 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.207 -11.787 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.253 -14.747 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.770 -13.159 3.872 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.258 -12.631 4.371 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.393 -13.529 4.221 1.00 0.00 C ATOM 1063 C ASN A 68 -10.375 -14.196 2.848 1.00 0.00 C ATOM 1064 O ASN A 68 -9.912 -13.588 1.877 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.706 -12.772 4.462 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.133 -11.934 3.262 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.924 -12.377 2.441 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -11.645 -10.720 3.109 1.00 0.00 N ATOM 0 H ASN A 68 -9.137 -12.008 3.572 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.318 -14.318 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.494 -13.487 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.592 -12.123 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.927 -10.154 2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.985 -10.346 3.791 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.980 -15.383 2.744 1.00 0.00 N ATOM 1076 CA ARG A 69 -11.001 -16.175 1.514 1.00 0.00 C ATOM 1077 C ARG A 69 -11.642 -15.445 0.341 1.00 0.00 C ATOM 1078 O ARG A 69 -11.130 -15.549 -0.770 1.00 0.00 O ATOM 1079 CB ARG A 69 -11.692 -17.530 1.759 1.00 0.00 C ATOM 1080 CG ARG A 69 -10.690 -18.595 2.226 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.861 -19.107 1.044 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.809 -20.038 1.469 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.129 -20.858 0.664 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -8.394 -20.875 -0.639 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.187 -21.647 1.169 1.00 0.00 N ATOM 0 H ARG A 69 -11.473 -15.824 3.520 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.961 -16.347 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.474 -17.411 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.178 -17.863 0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.031 -18.174 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.222 -19.425 2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.517 -19.604 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.408 -18.261 0.526 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.578 -20.060 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.115 -20.263 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.876 -21.500 -1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.985 -21.625 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.666 -22.275 0.557 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.707 -14.678 0.575 1.00 0.00 N ATOM 1100 CA GLY A 70 -13.355 -13.898 -0.470 1.00 0.00 C ATOM 1101 C GLY A 70 -12.365 -12.933 -1.116 1.00 0.00 C ATOM 1102 O GLY A 70 -12.293 -12.854 -2.344 1.00 0.00 O ATOM 0 H GLY A 70 -13.141 -14.583 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.766 -14.566 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.192 -13.341 -0.049 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.563 -12.231 -0.302 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.542 -11.356 -0.846 1.00 0.00 C ATOM 1108 C ALA A 71 -9.474 -12.181 -1.552 1.00 0.00 C ATOM 1109 O ALA A 71 -9.098 -11.841 -2.670 1.00 0.00 O ATOM 1110 CB ALA A 71 -9.939 -10.473 0.250 1.00 0.00 C ATOM 0 H ALA A 71 -11.608 -12.258 0.717 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.999 -10.692 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.176 -9.826 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.723 -9.861 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.488 -11.102 1.017 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.998 -13.252 -0.913 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.935 -14.101 -1.427 1.00 0.00 C ATOM 1118 C GLN A 72 -8.263 -14.609 -2.828 1.00 0.00 C ATOM 1119 O GLN A 72 -7.381 -14.585 -3.677 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.700 -15.260 -0.444 1.00 0.00 C ATOM 1121 CG GLN A 72 -6.409 -16.062 -0.673 1.00 0.00 C ATOM 1122 CD GLN A 72 -6.442 -17.083 -1.814 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.495 -17.564 -2.234 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.279 -17.471 -2.313 1.00 0.00 N ATOM 0 H GLN A 72 -9.352 -13.555 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.017 -13.519 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.684 -14.858 0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.548 -15.943 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.598 -15.359 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.163 -16.587 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.412 -17.067 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.250 -18.174 -3.052 1.00 0.00 H new ATOM 1133 N GLN A 73 -9.506 -15.021 -3.086 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.923 -15.591 -4.357 1.00 0.00 C ATOM 1135 C GLN A 73 -9.738 -14.561 -5.472 1.00 0.00 C ATOM 1136 O GLN A 73 -9.074 -14.823 -6.477 1.00 0.00 O ATOM 1137 CB GLN A 73 -11.385 -16.060 -4.218 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.908 -16.845 -5.429 1.00 0.00 C ATOM 1139 CD GLN A 73 -11.070 -18.089 -5.715 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -10.680 -18.824 -4.806 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -10.739 -18.341 -6.968 1.00 0.00 N ATOM 0 H GLN A 73 -10.260 -14.964 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.311 -16.453 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.472 -16.684 -3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.021 -15.189 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.942 -17.139 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.907 -16.199 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.066 -17.728 -7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.157 -19.149 -7.189 1.00 0.00 H new ATOM 1150 N LYS A 74 -10.286 -13.360 -5.268 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.170 -12.250 -6.202 1.00 0.00 C ATOM 1152 C LYS A 74 -8.700 -11.902 -6.431 1.00 0.00 C ATOM 1153 O LYS A 74 -8.282 -11.679 -7.571 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.923 -11.063 -5.575 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.139 -9.887 -6.531 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.389 -10.144 -7.370 1.00 0.00 C ATOM 1157 CE LYS A 74 -12.648 -9.016 -8.363 1.00 0.00 C ATOM 1158 NZ LYS A 74 -11.679 -8.978 -9.480 1.00 0.00 N ATOM 0 H LYS A 74 -10.830 -13.134 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.595 -12.505 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.892 -11.409 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.368 -10.713 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.249 -8.960 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.271 -9.765 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.277 -11.084 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.251 -10.254 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.654 -9.124 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.618 -8.063 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.913 -8.189 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.719 -8.845 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.723 -9.873 -10.008 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.933 -11.826 -5.341 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.522 -11.477 -5.367 1.00 0.00 C ATOM 1174 C LEU A 75 -5.743 -12.532 -6.159 1.00 0.00 C ATOM 1175 O LEU A 75 -4.856 -12.175 -6.928 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.983 -11.340 -3.926 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.217 -10.041 -3.624 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.861 -10.023 -2.134 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.962 -9.803 -4.468 1.00 0.00 C ATOM 0 H LEU A 75 -8.287 -12.010 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.392 -10.515 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.822 -11.415 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.325 -12.185 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.885 -9.224 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.317 -9.108 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.775 -10.063 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.238 -10.886 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.499 -8.861 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.257 -10.619 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.235 -9.760 -5.522 1.00 0.00 H new ATOM 1191 N ALA A 76 -6.066 -13.819 -5.987 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.338 -14.930 -6.583 1.00 0.00 C ATOM 1193 C ALA A 76 -5.543 -14.917 -8.083 1.00 0.00 C ATOM 1194 O ALA A 76 -4.567 -15.004 -8.826 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.788 -16.262 -5.973 1.00 0.00 C ATOM 0 H ALA A 76 -6.858 -14.116 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.274 -14.818 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.232 -17.079 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.599 -16.253 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.854 -16.403 -6.153 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.788 -14.747 -8.527 1.00 0.00 N ATOM 1202 CA GLU A 77 -7.107 -14.608 -9.937 1.00 0.00 C ATOM 1203 C GLU A 77 -6.340 -13.423 -10.535 1.00 0.00 C ATOM 1204 O GLU A 77 -5.855 -13.517 -11.662 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.627 -14.408 -10.092 1.00 0.00 C ATOM 1206 CG GLU A 77 -9.057 -14.725 -11.530 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.558 -14.532 -11.757 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.989 -13.410 -12.121 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -11.332 -15.502 -11.590 1.00 0.00 O ATOM 0 H GLU A 77 -7.601 -14.702 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.809 -15.509 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.160 -15.054 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.894 -13.381 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.505 -14.085 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.788 -15.755 -11.766 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.196 -12.326 -9.779 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.520 -11.121 -10.230 1.00 0.00 C ATOM 1218 C ALA A 78 -4.008 -11.338 -10.346 1.00 0.00 C ATOM 1219 O ALA A 78 -3.433 -10.993 -11.371 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.852 -9.942 -9.311 1.00 0.00 C ATOM 0 H ALA A 78 -6.553 -12.259 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.885 -10.881 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.337 -9.049 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.928 -9.767 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.528 -10.170 -8.296 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.343 -11.911 -9.339 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.902 -12.179 -9.412 1.00 0.00 C ATOM 1228 C LEU A 79 -1.596 -13.221 -10.497 1.00 0.00 C ATOM 1229 O LEU A 79 -0.601 -13.095 -11.210 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.350 -12.601 -8.035 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.408 -11.532 -7.440 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.252 -11.733 -5.934 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.974 -11.566 -8.101 1.00 0.00 C ATOM 0 H LEU A 79 -3.779 -12.199 -8.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.393 -11.257 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.179 -12.776 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.813 -13.544 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.861 -10.560 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.415 -10.970 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.227 -11.652 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.167 -12.720 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.609 -10.800 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.426 -12.546 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.871 -11.377 -9.169 1.00 0.00 H new ATOM 1245 N SER A 80 -2.479 -14.209 -10.665 1.00 0.00 N ATOM 1246 CA SER A 80 -2.395 -15.205 -11.729 1.00 0.00 C ATOM 1247 C SER A 80 -2.527 -14.532 -13.104 1.00 0.00 C ATOM 1248 O SER A 80 -1.777 -14.837 -14.024 1.00 0.00 O ATOM 1249 CB SER A 80 -3.513 -16.235 -11.517 1.00 0.00 C ATOM 1250 OG SER A 80 -3.368 -16.890 -10.269 1.00 0.00 O ATOM 0 H SER A 80 -3.285 -14.339 -10.053 1.00 0.00 H new ATOM 0 HA SER A 80 -1.426 -15.704 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.483 -15.739 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.493 -16.970 -12.322 1.00 0.00 H new ATOM 0 HG SER A 80 -3.958 -16.470 -9.609 1.00 0.00 H new ATOM 1256 N MET A 81 -3.454 -13.581 -13.248 1.00 0.00 N ATOM 1257 CA MET A 81 -3.688 -12.813 -14.469 1.00 0.00 C ATOM 1258 C MET A 81 -2.481 -11.927 -14.770 1.00 0.00 C ATOM 1259 O MET A 81 -2.043 -11.829 -15.914 1.00 0.00 O ATOM 1260 CB MET A 81 -4.952 -11.968 -14.251 1.00 0.00 C ATOM 1261 CG MET A 81 -5.283 -10.966 -15.358 1.00 0.00 C ATOM 1262 SD MET A 81 -5.830 -9.356 -14.724 1.00 0.00 S ATOM 1263 CE MET A 81 -4.259 -8.691 -14.099 1.00 0.00 C ATOM 0 H MET A 81 -4.083 -13.317 -12.490 1.00 0.00 H new ATOM 0 HA MET A 81 -3.828 -13.475 -15.324 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.800 -12.642 -14.132 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.844 -11.422 -13.314 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.403 -10.823 -15.985 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.063 -11.383 -15.995 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.391 -7.645 -13.822 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.945 -9.261 -13.225 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.497 -8.767 -14.875 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.940 -11.280 -13.736 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.796 -10.388 -13.819 1.00 0.00 C ATOM 1275 C LEU A 82 0.376 -11.155 -14.414 1.00 0.00 C ATOM 1276 O LEU A 82 0.939 -10.742 -15.426 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.498 -9.820 -12.424 1.00 0.00 C ATOM 1278 CG LEU A 82 0.867 -9.127 -12.278 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.003 -7.903 -13.185 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.054 -8.701 -10.821 1.00 0.00 C ATOM 0 H LEU A 82 -2.304 -11.370 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.997 -9.538 -14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.280 -9.106 -12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.555 -10.632 -11.699 1.00 0.00 H new ATOM 0 HG LEU A 82 1.635 -9.840 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.985 -7.452 -13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.891 -8.207 -14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.230 -7.177 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.020 -8.208 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.259 -8.011 -10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.017 -9.580 -10.177 1.00 0.00 H new ATOM 1292 N LYS A 83 0.733 -12.293 -13.817 1.00 0.00 N ATOM 1293 CA LYS A 83 1.847 -13.082 -14.333 1.00 0.00 C ATOM 1294 C LYS A 83 1.471 -13.862 -15.594 1.00 0.00 C ATOM 1295 O LYS A 83 2.361 -14.295 -16.326 1.00 0.00 O ATOM 1296 CB LYS A 83 2.379 -13.997 -13.216 1.00 0.00 C ATOM 1297 CG LYS A 83 3.886 -14.288 -13.324 1.00 0.00 C ATOM 1298 CD LYS A 83 4.814 -13.181 -12.791 1.00 0.00 C ATOM 1299 CE LYS A 83 4.737 -11.846 -13.543 1.00 0.00 C ATOM 1300 NZ LYS A 83 5.770 -10.886 -13.112 1.00 0.00 N ATOM 0 H LYS A 83 0.276 -12.681 -12.992 1.00 0.00 H new ATOM 0 HA LYS A 83 2.644 -12.405 -14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.175 -13.534 -12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.833 -14.940 -13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.100 -15.210 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.129 -14.469 -14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.576 -13.003 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.842 -13.542 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.842 -12.030 -14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.752 -11.405 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.671 -10.003 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.656 -10.686 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.713 -11.291 -13.281 1.00 0.00 H new ATOM 1314 N GLY A 84 0.182 -14.075 -15.843 1.00 0.00 N ATOM 1315 CA GLY A 84 -0.362 -14.892 -16.916 1.00 0.00 C ATOM 1316 C GLY A 84 -0.260 -16.383 -16.579 1.00 0.00 C ATOM 1317 O GLY A 84 -1.007 -17.192 -17.138 1.00 0.00 O ATOM 0 H GLY A 84 -0.549 -13.657 -15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.405 -14.625 -17.088 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.176 -14.687 -17.842 1.00 0.00 H new ATOM 1321 N SER A 85 0.595 -16.743 -15.623 1.00 0.00 N ATOM 1322 CA SER A 85 0.950 -18.089 -15.217 1.00 0.00 C ATOM 1323 C SER A 85 0.453 -18.353 -13.796 1.00 0.00 C ATOM 1324 O SER A 85 -0.063 -17.460 -13.122 1.00 0.00 O ATOM 1325 CB SER A 85 2.481 -18.223 -15.310 1.00 0.00 C ATOM 1326 OG SER A 85 3.140 -17.303 -14.447 1.00 0.00 O ATOM 0 H SER A 85 1.092 -16.042 -15.074 1.00 0.00 H new ATOM 0 HA SER A 85 0.481 -18.827 -15.868 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.774 -19.240 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.800 -18.051 -16.338 1.00 0.00 H new ATOM 0 HG SER A 85 4.110 -17.415 -14.529 1.00 0.00 H new ATOM 1332 N THR A 86 0.648 -19.577 -13.325 1.00 0.00 N ATOM 1333 CA THR A 86 0.358 -19.953 -11.955 1.00 0.00 C ATOM 1334 C THR A 86 1.301 -19.163 -11.036 1.00 0.00 C ATOM 1335 O THR A 86 2.481 -18.984 -11.346 1.00 0.00 O ATOM 1336 CB THR A 86 0.555 -21.473 -11.842 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.104 -22.106 -12.929 1.00 0.00 O ATOM 1338 CG2 THR A 86 0.018 -22.079 -10.545 1.00 0.00 C ATOM 0 H THR A 86 1.016 -20.342 -13.891 1.00 0.00 H new ATOM 0 HA THR A 86 -0.665 -19.719 -11.659 1.00 0.00 H new ATOM 0 HB THR A 86 1.632 -21.641 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.018 -23.076 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.196 -23.154 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.527 -21.626 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.053 -21.889 -10.471 1.00 0.00 H new ATOM 1346 N VAL A 87 0.775 -18.664 -9.922 1.00 0.00 N ATOM 1347 CA VAL A 87 1.493 -17.991 -8.846 1.00 0.00 C ATOM 1348 C VAL A 87 0.860 -18.542 -7.577 1.00 0.00 C ATOM 1349 O VAL A 87 -0.372 -18.583 -7.495 1.00 0.00 O ATOM 1350 CB VAL A 87 1.289 -16.466 -8.969 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.992 -15.745 -7.817 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.825 -15.894 -10.290 1.00 0.00 C ATOM 0 H VAL A 87 -0.226 -18.723 -9.735 1.00 0.00 H new ATOM 0 HA VAL A 87 2.570 -18.161 -8.863 1.00 0.00 H new ATOM 0 HB VAL A 87 0.212 -16.301 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.841 -14.670 -7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.577 -16.085 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.059 -15.966 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.652 -14.818 -10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.894 -16.092 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.309 -16.365 -11.127 1.00 0.00 H new ATOM 1362 N GLU A 88 1.655 -18.979 -6.597 1.00 0.00 N ATOM 1363 CA GLU A 88 1.080 -19.393 -5.328 1.00 0.00 C ATOM 1364 C GLU A 88 0.849 -18.112 -4.543 1.00 0.00 C ATOM 1365 O GLU A 88 1.703 -17.693 -3.758 1.00 0.00 O ATOM 1366 CB GLU A 88 2.011 -20.366 -4.586 1.00 0.00 C ATOM 1367 CG GLU A 88 1.755 -21.815 -4.988 1.00 0.00 C ATOM 1368 CD GLU A 88 2.618 -22.835 -4.244 1.00 0.00 C ATOM 1369 OE1 GLU A 88 3.088 -22.566 -3.109 1.00 0.00 O ATOM 1370 OE2 GLU A 88 2.751 -23.961 -4.785 1.00 0.00 O ATOM 0 H GLU A 88 2.670 -19.052 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 88 0.146 -19.937 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.049 -20.108 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.868 -20.257 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.705 -22.048 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.931 -21.920 -6.059 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.296 -17.465 -4.772 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.662 -16.313 -3.974 1.00 0.00 C ATOM 1379 C LEU A 89 -1.113 -16.871 -2.639 1.00 0.00 C ATOM 1380 O LEU A 89 -2.134 -17.558 -2.560 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.733 -15.427 -4.608 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.287 -14.419 -3.575 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.310 -13.508 -2.829 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.245 -13.478 -4.265 1.00 0.00 C ATOM 0 H LEU A 89 -0.970 -17.720 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 89 0.193 -15.644 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.312 -14.890 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.544 -16.046 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.713 -15.085 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.863 -12.865 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.604 -14.117 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.766 -12.893 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.639 -12.765 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.721 -12.941 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.067 -14.048 -4.697 1.00 0.00 H new ATOM 1396 N THR A 90 -0.349 -16.565 -1.608 1.00 0.00 N ATOM 1397 CA THR A 90 -0.631 -16.950 -0.247 1.00 0.00 C ATOM 1398 C THR A 90 -0.760 -15.637 0.530 1.00 0.00 C ATOM 1399 O THR A 90 -0.225 -14.612 0.103 1.00 0.00 O ATOM 1400 CB THR A 90 0.534 -17.836 0.238 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.043 -18.687 -0.788 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.114 -18.719 1.405 1.00 0.00 C ATOM 0 H THR A 90 0.511 -16.025 -1.702 1.00 0.00 H new ATOM 0 HA THR A 90 -1.545 -17.530 -0.119 1.00 0.00 H new ATOM 0 HB THR A 90 1.314 -17.140 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.780 -19.226 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.959 -19.330 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.213 -18.093 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.706 -19.367 1.095 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.455 -15.618 1.660 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.521 -14.460 2.536 1.00 0.00 C ATOM 1412 C ILE A 91 -1.081 -15.020 3.886 1.00 0.00 C ATOM 1413 O ILE A 91 -1.433 -16.153 4.231 1.00 0.00 O ATOM 1414 CB ILE A 91 -2.927 -13.808 2.573 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.571 -13.554 1.189 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -2.859 -12.470 3.343 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.078 -13.308 1.271 1.00 0.00 C ATOM 0 H ILE A 91 -1.994 -16.416 1.996 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.888 -13.639 2.198 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.565 -14.536 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.092 -12.693 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.382 -14.411 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.849 -12.014 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.519 -12.654 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.162 -11.798 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.474 -13.136 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.565 -14.179 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.271 -12.433 1.892 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.308 -14.254 4.636 1.00 0.00 N ATOM 1430 CA VAL A 92 0.103 -14.582 5.995 1.00 0.00 C ATOM 1431 C VAL A 92 -0.129 -13.352 6.867 1.00 0.00 C ATOM 1432 O VAL A 92 -0.054 -12.227 6.362 1.00 0.00 O ATOM 1433 CB VAL A 92 1.580 -15.052 6.028 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.812 -16.263 5.114 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.597 -13.972 5.623 1.00 0.00 C ATOM 0 H VAL A 92 0.063 -13.361 4.310 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.488 -15.412 6.382 1.00 0.00 H new ATOM 0 HB VAL A 92 1.747 -15.309 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.859 -16.562 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.182 -17.091 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.560 -15.997 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.605 -14.384 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.391 -13.641 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.517 -13.124 6.303 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.460 -13.537 8.146 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.548 -12.403 9.055 1.00 0.00 C ATOM 1447 C GLU A 93 0.898 -12.052 9.423 1.00 0.00 C ATOM 1448 O GLU A 93 1.785 -12.912 9.457 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.487 -12.633 10.251 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.338 -13.937 11.056 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.540 -14.865 10.836 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.533 -15.659 9.867 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -3.539 -14.772 11.594 1.00 0.00 O ATOM 0 H GLU A 93 -0.667 -14.443 8.566 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.028 -11.550 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.356 -11.800 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.512 -12.585 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.422 -14.448 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.244 -13.704 12.117 1.00 0.00 H new ATOM 1460 N ASP A 94 1.180 -10.771 9.599 1.00 0.00 N ATOM 1461 CA ASP A 94 2.510 -10.234 9.818 1.00 0.00 C ATOM 1462 C ASP A 94 2.463 -9.101 10.833 1.00 0.00 C ATOM 1463 O ASP A 94 1.601 -8.240 10.702 1.00 0.00 O ATOM 1464 CB ASP A 94 2.972 -9.763 8.446 1.00 0.00 C ATOM 1465 CG ASP A 94 4.429 -9.372 8.457 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.262 -10.307 8.390 1.00 0.00 O ATOM 1467 OD2 ASP A 94 4.719 -8.159 8.405 1.00 0.00 O ATOM 0 H ASP A 94 0.459 -10.050 9.593 1.00 0.00 H new ATOM 0 HA ASP A 94 3.201 -10.968 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.813 -10.556 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.368 -8.912 8.130 1.00 0.00 H new ATOM 1472 N ASP A 95 3.338 -9.062 11.837 1.00 0.00 N ATOM 1473 CA ASP A 95 3.231 -8.051 12.901 1.00 0.00 C ATOM 1474 C ASP A 95 4.389 -7.056 12.897 1.00 0.00 C ATOM 1475 O ASP A 95 4.265 -5.962 13.454 1.00 0.00 O ATOM 1476 CB ASP A 95 3.103 -8.734 14.275 1.00 0.00 C ATOM 1477 CG ASP A 95 1.948 -8.203 15.131 1.00 0.00 C ATOM 1478 OD1 ASP A 95 1.483 -7.052 14.947 1.00 0.00 O ATOM 1479 OD2 ASP A 95 1.471 -8.974 16.002 1.00 0.00 O ATOM 0 H ASP A 95 4.121 -9.707 11.941 1.00 0.00 H new ATOM 0 HA ASP A 95 2.329 -7.473 12.700 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.968 -9.805 14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.037 -8.604 14.822 1.00 0.00 H new ATOM 1522 N VAL A 99 8.615 -3.563 7.380 1.00 0.00 N ATOM 1523 CA VAL A 99 8.298 -3.565 5.957 1.00 0.00 C ATOM 1524 C VAL A 99 7.081 -2.677 5.723 1.00 0.00 C ATOM 1525 O VAL A 99 6.076 -2.731 6.446 1.00 0.00 O ATOM 1526 CB VAL A 99 8.144 -4.986 5.400 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.173 -4.931 3.867 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.270 -5.926 5.856 1.00 0.00 C ATOM 0 HA VAL A 99 9.132 -3.146 5.394 1.00 0.00 H new ATOM 0 HB VAL A 99 7.198 -5.375 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.064 -5.938 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.354 -4.307 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.122 -4.509 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.110 -6.917 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.229 -5.536 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.270 -5.992 6.944 1.00 0.00 H new ATOM 1538 N ARG A 100 7.212 -1.816 4.720 1.00 0.00 N ATOM 1539 CA ARG A 100 6.266 -0.783 4.363 1.00 0.00 C ATOM 1540 C ARG A 100 5.198 -1.414 3.475 1.00 0.00 C ATOM 1541 O ARG A 100 5.516 -1.958 2.418 1.00 0.00 O ATOM 1542 CB ARG A 100 7.006 0.337 3.611 1.00 0.00 C ATOM 1543 CG ARG A 100 8.133 1.078 4.353 1.00 0.00 C ATOM 1544 CD ARG A 100 9.429 0.301 4.668 1.00 0.00 C ATOM 1545 NE ARG A 100 10.561 1.221 4.902 1.00 0.00 N ATOM 1546 CZ ARG A 100 11.516 1.166 5.841 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.561 0.209 6.756 1.00 0.00 N ATOM 1548 NH2 ARG A 100 12.455 2.103 5.868 1.00 0.00 N ATOM 0 H ARG A 100 8.026 -1.826 4.106 1.00 0.00 H new ATOM 0 HA ARG A 100 5.798 -0.353 5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.429 -0.092 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.268 1.076 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.404 1.952 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.727 1.445 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.277 -0.323 5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.666 -0.367 3.840 1.00 0.00 H new ATOM 0 HE ARG A 100 10.625 2.009 4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.851 -0.523 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.306 0.205 7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.445 2.855 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.187 2.071 6.578 1.00 0.00 H new ATOM 1562 N THR A 101 3.945 -1.421 3.918 1.00 0.00 N ATOM 1563 CA THR A 101 2.844 -1.878 3.078 1.00 0.00 C ATOM 1564 C THR A 101 2.454 -0.707 2.156 1.00 0.00 C ATOM 1565 O THR A 101 2.776 0.437 2.488 1.00 0.00 O ATOM 1566 CB THR A 101 1.673 -2.308 3.978 1.00 0.00 C ATOM 1567 OG1 THR A 101 1.214 -1.222 4.760 1.00 0.00 O ATOM 1568 CG2 THR A 101 2.063 -3.433 4.944 1.00 0.00 C ATOM 0 H THR A 101 3.667 -1.116 4.851 1.00 0.00 H new ATOM 0 HA THR A 101 3.125 -2.737 2.469 1.00 0.00 H new ATOM 0 HB THR A 101 0.893 -2.662 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.468 -1.517 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.202 -3.701 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.389 -4.304 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.876 -3.095 5.587 1.00 0.00 H new ATOM 1576 N PRO A 102 1.711 -0.912 1.055 1.00 0.00 N ATOM 1577 CA PRO A 102 1.217 0.183 0.229 1.00 0.00 C ATOM 1578 C PRO A 102 0.399 1.202 1.027 1.00 0.00 C ATOM 1579 O PRO A 102 0.421 2.388 0.691 1.00 0.00 O ATOM 1580 CB PRO A 102 0.340 -0.462 -0.838 1.00 0.00 C ATOM 1581 CG PRO A 102 0.863 -1.884 -0.950 1.00 0.00 C ATOM 1582 CD PRO A 102 1.364 -2.186 0.462 1.00 0.00 C ATOM 0 HA PRO A 102 2.056 0.737 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.711 -0.447 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.418 0.066 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.080 -2.578 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.663 -1.962 -1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.595 -2.690 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.229 -2.849 0.434 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.343 0.760 2.053 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.093 1.646 2.936 1.00 0.00 C ATOM 1592 C LEU A 103 -0.123 2.578 3.654 1.00 0.00 C ATOM 1593 O LEU A 103 -0.274 3.796 3.572 1.00 0.00 O ATOM 1594 CB LEU A 103 -1.917 0.847 3.961 1.00 0.00 C ATOM 1595 CG LEU A 103 -2.848 1.749 4.798 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.122 2.102 4.017 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -3.227 1.039 6.097 1.00 0.00 C ATOM 0 H LEU A 103 -0.436 -0.228 2.289 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.789 2.230 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.513 0.098 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.242 0.309 4.627 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.314 2.672 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.760 2.738 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.853 2.631 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.658 1.188 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.884 1.681 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.742 0.107 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.325 0.823 6.670 1.00 0.00 H new ATOM 1609 N GLU A 104 0.861 2.016 4.359 1.00 0.00 N ATOM 1610 CA GLU A 104 1.803 2.810 5.136 1.00 0.00 C ATOM 1611 C GLU A 104 2.651 3.675 4.198 1.00 0.00 C ATOM 1612 O GLU A 104 2.914 4.828 4.525 1.00 0.00 O ATOM 1613 CB GLU A 104 2.648 1.913 6.051 1.00 0.00 C ATOM 1614 CG GLU A 104 1.805 1.184 7.116 1.00 0.00 C ATOM 1615 CD GLU A 104 1.117 2.132 8.103 1.00 0.00 C ATOM 1616 OE1 GLU A 104 -0.047 2.536 7.875 1.00 0.00 O ATOM 1617 OE2 GLU A 104 1.708 2.419 9.172 1.00 0.00 O ATOM 0 H GLU A 104 1.023 1.010 4.405 1.00 0.00 H new ATOM 0 HA GLU A 104 1.256 3.486 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.175 1.176 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.406 2.519 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.048 0.579 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.447 0.499 7.670 1.00 0.00 H new ATOM 1624 N TRP A 105 3.010 3.181 3.007 1.00 0.00 N ATOM 1625 CA TRP A 105 3.696 3.976 1.996 1.00 0.00 C ATOM 1626 C TRP A 105 2.836 5.186 1.649 1.00 0.00 C ATOM 1627 O TRP A 105 3.344 6.297 1.627 1.00 0.00 O ATOM 1628 CB TRP A 105 3.979 3.168 0.721 1.00 0.00 C ATOM 1629 CG TRP A 105 5.263 2.399 0.648 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.365 1.070 0.423 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.633 2.909 0.620 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.691 0.730 0.253 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.512 1.831 0.319 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.226 4.183 0.770 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.890 2.012 0.133 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.606 4.382 0.576 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.437 3.300 0.231 1.00 0.00 C ATOM 0 H TRP A 105 2.831 2.218 2.722 1.00 0.00 H new ATOM 0 HA TRP A 105 4.656 4.289 2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.159 2.463 0.583 1.00 0.00 H new ATOM 0 HB3 TRP A 105 3.953 3.856 -0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.535 0.380 0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.022 -0.222 0.097 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.605 5.025 1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.525 1.166 -0.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.029 5.369 0.692 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.488 3.460 0.043 1.00 0.00 H new ATOM 1648 N ARG A 106 1.530 5.028 1.419 1.00 0.00 N ATOM 1649 CA ARG A 106 0.657 6.153 1.077 1.00 0.00 C ATOM 1650 C ARG A 106 0.679 7.236 2.157 1.00 0.00 C ATOM 1651 O ARG A 106 0.398 8.394 1.856 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.777 5.624 0.928 1.00 0.00 C ATOM 1653 CG ARG A 106 -1.781 6.526 0.200 1.00 0.00 C ATOM 1654 CD ARG A 106 -1.695 6.436 -1.327 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.044 6.434 -1.913 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.802 5.359 -2.181 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.320 4.122 -2.085 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -5.060 5.530 -2.566 1.00 0.00 N ATOM 0 H ARG A 106 1.053 4.128 1.464 1.00 0.00 H new ATOM 0 HA ARG A 106 1.013 6.599 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.733 4.671 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.167 5.419 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.790 6.260 0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.615 7.559 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.123 7.278 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.164 5.529 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.445 7.344 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.352 3.973 -1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.919 3.324 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.442 6.471 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.645 4.720 -2.772 1.00 0.00 H new ATOM 1672 N GLN A 107 0.909 6.877 3.419 1.00 0.00 N ATOM 1673 CA GLN A 107 1.076 7.851 4.496 1.00 0.00 C ATOM 1674 C GLN A 107 2.485 8.444 4.433 1.00 0.00 C ATOM 1675 O GLN A 107 2.641 9.662 4.447 1.00 0.00 O ATOM 1676 CB GLN A 107 0.810 7.200 5.866 1.00 0.00 C ATOM 1677 CG GLN A 107 0.793 8.208 7.028 1.00 0.00 C ATOM 1678 CD GLN A 107 -0.375 9.191 6.933 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.542 8.802 6.969 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -0.122 10.482 6.827 1.00 0.00 N ATOM 0 H GLN A 107 0.985 5.906 3.723 1.00 0.00 H new ATOM 0 HA GLN A 107 0.350 8.654 4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.147 6.679 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.576 6.448 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.733 7.668 7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.731 8.763 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.843 10.812 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -0.891 11.150 6.776 1.00 0.00 H new ATOM 1689 N ALA A 108 3.508 7.590 4.366 1.00 0.00 N ATOM 1690 CA ALA A 108 4.902 7.982 4.428 1.00 0.00 C ATOM 1691 C ALA A 108 5.274 8.897 3.271 1.00 0.00 C ATOM 1692 O ALA A 108 5.911 9.911 3.493 1.00 0.00 O ATOM 1693 CB ALA A 108 5.777 6.732 4.418 1.00 0.00 C ATOM 0 H ALA A 108 3.378 6.583 4.265 1.00 0.00 H new ATOM 0 HA ALA A 108 5.066 8.538 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.827 7.022 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.534 6.111 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.597 6.169 3.502 1.00 0.00 H new ATOM 1699 N ILE A 109 4.867 8.565 2.049 1.00 0.00 N ATOM 1700 CA ILE A 109 5.156 9.316 0.828 1.00 0.00 C ATOM 1701 C ILE A 109 4.559 10.726 0.938 1.00 0.00 C ATOM 1702 O ILE A 109 5.140 11.695 0.449 1.00 0.00 O ATOM 1703 CB ILE A 109 4.595 8.543 -0.389 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.237 7.148 -0.565 1.00 0.00 C ATOM 1705 CG2 ILE A 109 4.690 9.351 -1.691 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.560 7.086 -1.322 1.00 0.00 C ATOM 0 H ILE A 109 4.304 7.732 1.874 1.00 0.00 H new ATOM 0 HA ILE A 109 6.232 9.423 0.692 1.00 0.00 H new ATOM 0 HB ILE A 109 3.539 8.388 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.393 6.719 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.521 6.508 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.283 8.764 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.121 10.275 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.734 9.589 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.901 6.052 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.420 7.474 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.305 7.688 -0.802 1.00 0.00 H new ATOM 1718 N TYR A 110 3.400 10.857 1.584 1.00 0.00 N ATOM 1719 CA TYR A 110 2.786 12.147 1.851 1.00 0.00 C ATOM 1720 C TYR A 110 3.701 12.944 2.766 1.00 0.00 C ATOM 1721 O TYR A 110 3.996 14.108 2.492 1.00 0.00 O ATOM 1722 CB TYR A 110 1.402 11.921 2.462 1.00 0.00 C ATOM 1723 CG TYR A 110 0.381 13.006 2.182 1.00 0.00 C ATOM 1724 CD1 TYR A 110 0.657 14.374 2.392 1.00 0.00 C ATOM 1725 CD2 TYR A 110 -0.886 12.618 1.711 1.00 0.00 C ATOM 1726 CE1 TYR A 110 -0.318 15.341 2.089 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -1.864 13.577 1.409 1.00 0.00 C ATOM 1728 CZ TYR A 110 -1.579 14.947 1.584 1.00 0.00 C ATOM 1729 OH TYR A 110 -2.526 15.881 1.304 1.00 0.00 O ATOM 0 H TYR A 110 2.863 10.065 1.936 1.00 0.00 H new ATOM 0 HA TYR A 110 2.652 12.720 0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.011 10.974 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.513 11.820 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.616 14.678 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.109 11.569 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.103 16.388 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.832 13.267 1.044 1.00 0.00 H new ATOM 0 HH TYR A 110 -3.332 15.438 0.965 1.00 0.00 H new